N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide

C34H38FN5O4 — CID 171474121

IUPACN-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide
SMILESCC(C)(C)c1nc(C23CCC(CN(C(=O)CC45CC(F)(C4)C5)c4cncc(-c5ccc6[nH]c(=O)oc6c5)c4)(CC2)CC3)no1
InChIInChI=1S/C34H38FN5O4/c1-30(2,3)28-38-27(39-44-28)33-9-6-31(7-10-33,8-11-33)20-40(26(41)14-32-17-34(35,18-32)19-32)23-12-22(15-36-16-23)21-4-5-24-25(13-21)43-29(42)37-24/h4-5,12-13,15-16H,6-11,14,17-20H2,1-3H3,(H,37,42)
InChIKeyWNIRBIYDFQMOHP-UHFFFAOYSA-N
MW599.71 g/mol
LogP6.77
Rot. Bonds7

About N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide

N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide (PubChem CID 171474121) has the molecular formula C34H38FN5O4 and a molecular weight of 599.71 g/mol. Its IUPAC name is N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide
PubChem CID171474121
Molecular FormulaC34H38FN5O4
Molecular Weight599.71 g/mol
Exact Mass599.29
IUPAC NameN-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide
SMILESCC(C)(C)c1nc(C23CCC(CN(C(=O)CC45CC(F)(C4)C5)c4cncc(-c5ccc6[nH]c(=O)oc6c5)c4)(CC2)CC3)no1
InChIInChI=1S/C34H38FN5O4/c1-30(2,3)28-38-27(39-44-28)33-9-6-31(7-10-33,8-11-33)20-40(26(41)14-32-17-34(35,18-32)19-32)23-12-22(15-36-16-23)21-4-5-24-25(13-21)43-29(42)37-24/h4-5,12-13,15-16H,6-11,14,17-20H2,1-3H3,(H,37,42)
InChIKeyWNIRBIYDFQMOHP-UHFFFAOYSA-N
XLogP6.77
TPSA118.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.71
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171473978
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[4-(5-ethylpyrimidin-2-yl)-2-pyridinyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474092
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[4-(2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171473840
2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-N-[[4-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]acetamide
CID 171473909
N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474136
N-[[4-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(2-oxo-3H-1,3-benzoxazol-6-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155060865
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(isocyanomethoxy)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 163883187
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[4-(2-methyl-1,3-benzothiazol-6-yl)-2-pyridinyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 162265993
N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474166
2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(4-methoxyphenyl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
CID 171474309
N-[[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]acetamide
CID 171058402
N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
CID 171474416

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide (CID 171474121) is N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide is CC(C)(C)c1nc(C23CCC(CN(C(=O)CC45CC(F)(C4)C5)c4cncc(-c5ccc6[nH]c(=O)oc6c5)c4)(CC2)CC3)no1.
What is the InChIKey of N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide?
The InChIKey is WNIRBIYDFQMOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN5O4/c1-30(2,3)28-38-27(39-44-28)33-9-6-31(7-10-33,8-11-33)20-40(26(41)14-32-17-34(35,18-32)19-32)23-12-22(15-36-16-23)21-4-5-24-25(13-21)43-29(42)37-24/h4-5,12-13,15-16H,6-11,14,17-20H2,1-3H3,(H,37,42).
What are the key properties of N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide?
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide has a molecular weight of 599.71 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 171474121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).